Polymer Electrolyte membranes Designs : Dynamics and simulation of

the Molecular structure and morphology of Nafion -based

nanocomposite membrane.

Introduction

The polyelectrolytes membrane utilized for fuel cell cars fulfilled many

characteristics and was used to improve the development process as a topic of

research. It is previously known among these characteristics that the chemical stability

degradation factor occurs in the catalyst layer, and that dimensional swelling stability

may be assessed by simulation. We have thus created new techniques for determining

physical characteristics linked to proton conductivity, gas permeability, and mechanical

strength. In this study, several methods are examined.

Fuel cell applications include polyelectrolyte membranes, which act as fuel gases

and as a proton conductor to separate hydrogen from oxygen. A perfluorosulfonic acid

membrane, Nafion is widely recognized as a typical membrane and comprises of

Teflon's hydrophobic backbone and side chains that include a hydrophilic sulfonate

group. The sulfonic groups take water into the moist environment, leading to water

separated from Teflon and, finally, to a water cluster network with clusters with a

diameter of up to several nanometers.

Strong-functioning polymer membranes requiring high physical strength and

excellent gas separation characteristics were studied in industrial polymer materials. A

variety of demanding features must be fulfilled concurrently to create and market novel

polymer materials. Novel polymer synthesis is required in this development process on

several occasions, making it challenging to market new functional polymers quickly.

Molecular simulation is sometimes utilized to minimize such a delay so that membranes

may be synthesized and assessed almost using a computer. However, since not many

physical characteristics can be evaluated by simulation, its use is generally restricted to

studying physical events. Thus, we believed that the polymer synthesis process would

be improved if molecular simulation assessed specific characteristics.

Nafion's low and restricted working temperature is another common drawback, in

addition to its propensity for swelling when exposed to polar solvents. One significant

disadvantage is that its operating temperature is restricted to 60–80 degrees Celcius,

beyond which proton conduction deteriorates. Several PEM fuel cells must be stacked

in the accurate proton fuel cell operation to get the desired power output. As a result,

the temperature of the cell increases considerably beyond the Nafion's optimal working

temperature. Researchers trying to do the PEMFC work at greater operating

temperatures have a significant obstacle.

Polyimides-based ionomers, sulfonated thermoplastics poly(arylene ether

sulfone), and sulfonated fluorocarbon poly(arylene ether sulfone) have all been tried to

make novel proton electrolyte membranes (styrene). Even though these newly

synthesized materials showed reasonable control of excessive swelling when exposed

to solvents, they fall short in proton-conducting capability compared to Nafion. Until

now, Nafion has been the best ionomer for PEMFC applications, and various methods

to improving the limits of current Nafion have been tried.

The physical blending of Nafion with other polymers and in-situ impregnation of

Nafion membranes with tiny molecules such as ionic liquids and polyacids are two

methods for modification. The first alteration affects the fluoromatrix of Nafion, while the
second modification affects just the ionic clusters of Nafion locally. The technique of in-

situ Nafion impregnation, which targets just the ionic clusters locally, is increasingly

being used to overcome Nafion's limitations. Small molecules, such as ionic liquids,

have been extensively utilized in the impregnation method to infuse via these ionic

domains to offer superior swelling suppression and to enhance the protonic and/or ionic

conductivity characteristics of Nafion. The excellent conductivity characteristics of ionic

liquids are expected to allow for an improvement in the conductivity performance of

these impregnated Nafion membranes. These ionic liquids, on the other hand, are

prone to leaching and act as a powerful plasticizer to Nafion, reducing the mechanical

properties of the impregnated membranes.

The structural and conductive characteristics of modified Nafion membranes that

were changed utilizing the two methods were characterized in this research. The basic

operation of a proton electrolyte membrane fuel cell (PEMFC), the structural properties

of Nafion, advancements in the development of new electrolyte membranes, and the

description of concepts related to thermodynamics of polymer solutions and blends on

binary phase diagrams, as well as the dynamics of the phase separation process, are

the focus of this research.

High functional polymer membranes with high physical strength and good gas

separation capabilities have been researched in industrial polymer materials. A variety

of demanding qualities must be addressed simultaneously to develop and

commercialize novel polymeric materials. This development process necessitates the

synthesis of novel polymers regularly, making it difficult to market new functional

polymers in a timely manner. Molecular simulation is commonly utilized, allowing for the
virtual synthesis and evaluation of membranes on a computer to minimize this time

delay. However, because simulation can only evaluate a limited number of physical

qualities, it is frequently limited to examining physical phenomena. As a result, we

hypothesized that if specific attributes could be analyzed using molecular simulation, the

polymer creation process would be improved.

The first molecular dynamic simulations of the hydrated Nafion already showed a

phase-separated structure in which all atoms are directly handled. However, in practice,

a suitable water cluster network is challenging to produce due to two factors. In the

beginning, it is sluggish to relax the phase separation from the balanced structure and

needs a highly lengthy calculation time. The reason is that the relaxation time rises with

the chain length in the case of polymer. Second, a system of tens of nanometers is

essential for assessing the network of water clusters. More than 100,000 atoms are

required, and the calculation time must be dramatically increased. The benefit of

molecular dynamics simulation is that proton conductivity cannot be directly estimated

from the average displacement square of the protons. Still, it is only possible to assess

their movement in specific areas of the water cluster owing to the limited sampling

period of just a few ns.

Consequently, when comparing experimental long-range data with short-range

diffusion acquired from simulation studies, the diffusion constants determined from

simulations vary in order of magnitude. Therefore, various techniques have been

devised to coarse-grain specific groupings of atoms and to handle greater temporal and

space scales. Experimental Water Cluster size can be replicated effectively using

medium field techniques, but well-resolved network topologies are not achieved. A
dissipative dynamic may be used to acquire water cluster networks that well match tests

(DPD). In addition, a good agreement with the experiment was reached by combining

DPD simulations with a statistical analysis of narrow-angle X-ray and neutron spreading

measurements. Since DPD nevertheless, in theory, enables polymer chains to be

crossed, significant attention should be given if dynamic phenomena are directly

applied. The proton transport processes were subject to molecular modeling coupled

with an ab initio calculation. This Multi-scale treatment is an easy method, but it takes a

lot of calculation time to evaluate the long-range mobility across the water cluster

network for different membranes at several water levels.

Before fuel cells can be widely used, they must overcome several challenges.

Numerous additional experimental and computational investigations have described

Nafion, the current most effective polymer for usage in polymer electrolyte fuel cells

(PEMFCs). This research investigates the previously unknown behavior of oxygen

inside a Nafion system hydrated at 10 and 20 weight percent. Temperatures of 353,

363, 373, and 383 Kelvin are used to equilibrate the systems. After that, pair correlation

and mean square displacement functions are used to investigate the system's structure

and transport characteristics. The oxygen molecules became more coordinated with

water as hydration rose, resulting in a reduction in the oxygen diffusion coefficient within

the system. This has a significant impact on the fuel cell's efficiency. This information

advances the search for a better polymer membrane for use in fuel cells. Because of its

strong proton conductivity and chemical stability, Nafion is the most popular material for

use in polymer electrolyte membrane fuel cells (PEMFCs). Using molecular dynamics

modeling, Jang et al. investigated the impact of monomeric sequences, such as blocky
vs. random, on the transport characteristics of bulk Nafion. A lot of studies have gone

into the equilibrium structure of the hydrated Nafion system. According to popular belief,

water clusters inside the amorphous polymer due to the hydrophilic character of the

Nafion's polytetrafluoroethylene backbone.

Objectives of the Study:

1. To investigate the effect of temperature on the mechanism of proton transfer

within a Nafion-based nanocomposite membrane with silica-encapsulated

nanocellulose as nanofiller;

2. To explore the changes in the proton conductivity of Nafion-based

nanocomposite membrane with different loadings of silica-encapsulated

nanocellulose as nanofillers.

Significance of the study

This proposed study will provide understanding of the mechanism of the proton

conductivity of silica-encapsulated nanocellulose, vital for guiding real experimental

fabrication of Nafion-based nanocomposite membranes for PEMFCs.

The molecular model for nanocellulose-based nanocomposites will allow for the

mechanism of proton conductivity in other biopolymers such iota-carrageenan, to be

accurately modelled.

Teachers: To show them the importance of this study.

Students: To give more information to the chosen title.

Future Researchers: This will serve as references for the their future study

related to this paper.

 Local Community: This will serve as an eye opener for the fellow citizen about

this topic.

Government: This will give an idea on how important this research for the

society.

Methodology

Molecular Dynamics Simulation

The mobile track of a proton may produce mean square displacement (MSD) in a

dynamics simulation, which is the average square of displacement where a particle

travels from time 0 to time t. The particle's self-diffusion coefficient was computed using

the MSD slop as a function of time in the form:

lim d N
1 t→∞ 2
D= ∑|r i ( t )−r i (0)|
6N dt i=1

Wherein:

D = Diffusion Coefficient

ri = position vector of particle at time event

N = Number of Diffusible particles

GROMACS 2016 was used to run MD simulations with a baseline time step of 1

fs. A straight cutoff of 1.2 nm was utilized for non-bonded contacts, while PME was

employed for long-range electrostatics. P-LINCS was used to restrict bonds to their

equilibrium values. Parrinello–Rahman barostat with semi-isotropic coupling for

simulations of surfaces and fibrils and isotropic coupling for simulations of oligomers

(see below) was used to keep the pressure at 1 atm, while a Nosé–Hoover thermostat

kept the temperature constant at 298 K. The GLYCAM06 parameter set was used in

conjunction with the TIP3P water model in the simulation.

This research aimed to determine the particle-particle energy between fibrils as

well as the surface free energy of cellulose exposed to liquid. As a result, two model

systems were utilized, one with non-acetylated cellulose and the other with acetylated

cellulose. The C6 position of cellulose was partly acetylated in this experiment (Fig. 1A).

Cellulose acetylation is heterogeneous, with other hydroxyls being acetylated as well.

However, since the C6 hydroxyl is the most reactive, it was chosen as the sole hydroxyl

group. To precise target the cellulose surface energy, the initial model was formed by a

crystalline cellulose surface in contact with water or vacuum (Fig. 1B). A pair of

interacting cellulose fibrils in water, either non-acetylated or completely C6-acetylated,

was utilized to measure particle-particle interaction in the second model (Fig. 1C). The

PMF between two model cellulose fibrils (acetylated and non-acetylated) in water was

determined using umbrella sampling. By dividing the result by the original contact area,

the reversible work (free energy) for separating the two model fibrils may be translated

into work of adhesion. The response coordinate in the simulations was the center-of-

mass distance perpendicular to the axial direction between the fibrils.

A new strategy is required for cellulose–water interactions. The difference in

surface energy is computed, and two states are compared: (A) without acetylation and

(B) with acetylation to quantify the impact of acetylation. The following is the context.

The thermodynamic integration method may be used to determine the free energy
difference between two states (A and B) where the two states are interpolated using a

single coupling parameter λ such that λ = 0 corresponds to state A, and λ = 1 to state B.

The free energy difference between A and B may be determined using Bennet's

acceptance ratio by running simulations at both the endpoints and various intermediate

values in which the derivative of the total Hamiltonian concerning the coupling

parameter is sampled.
Fig. 1 Description of the model systems. (A) Details of cellulose structure; cellotriose

with the carbon numbering used. C6 hydroxyls are transformed into acetyl groups by

computational alchemy, which uses dummy atoms in the unmodified state. (B) Surface

acetylation is modeled using infinite slabs of cellulose in contact with both water and

vacuum. (C) The cellulose–cellulose work of adhesion is calculated from atomistic

PMFs in water where model cellulose nanofibrils are pulled apart using umbrella

sampling simulations.

Model Formulation

1. Size and Size distribution

The dynamic light scattering (DLS) technique is frequently used to determine the

size distribution of nanoparticles in a solution. It operates on the concept of utilizing the

Strokes-Einstein equation to calculate the hydrodynamic radius of nanoparticles.

kB T
RH=
6 πηD

In this Strokes-Einstein equation, R H represent hydrodynamic radius; k B, Boltzman

constant; T, absolute temperature; η, solvent viscosity; and D, diffusion coefficient

( obtained from DLS technique.)

2. Water uptake measurements

In a PEMFC, water absorption in the polymeric membrane is critical for proton

conduction. The following equation is used to calculate the % water absorption of

polymer membranes at various temperatures:

wt −w d
water uptake ( % )= × 100
wd

Wd is the membrane's dry weight, and W t is the membrane's weight after swelling for 24

hours at a certain temperature.

3. Ionic Conductivity

Z-Plot (Scribner) was used to fit impedance plots to an equivalent circuit, and the

membrane resistance, R (), was calculated from the high frequency intercept. With membrane

thickness (L, cm), membrane resistance (R, cm), and cross-sectional area, equation below was

used to compute conductivity.

σ = · L R A (2)

Chapter 2

Review of Related Literature

Introduction

In the current situation, electricity generation without the production of harmful

gases is essential. Wind and water are two of the green technologies used to generate

electricity. Such technologies, however, are insufficient to meet current power demand.
Due to its promised clean and efficient energy conversions, fuel cells have emerged as

the most promising subject. A fuel cell is a significant energy technology that has gotten

a lot of attention in the last two decades for providing an alternative ecologically benign

and highly efficient power generator that is also modular and emits little chemical and

noise pollution. In theory, unlike batteries, which have outputs limited to their stored

chemical energy, fuel cells are electrochemical devices that create power continuously if

fuel is provided in the presence of an oxidant.

FUEL CELLS

Due to its great efficiency and ultra-low emissions, the fuel cell is a highly

promising primary energy converter for automobile propulsion in the transfer from

chemical energy to electricity. Because of their robust construction and appropriateness

for dynamic operation, the polymer-electrolyte-membrane fuel cell (PEFC) is almost

solely considered for applications in traction among the many kinds of fuel cells. As a

result, this study focuses only on PEFC technology. In comparison to alternative vehicle

power trains, the PEFC-fuel cell technology produced the lowest CO2-emissions for

cars with fuel cell power trains "tank to wheel." However, when the perspective is

expanded to include "well-to-wheel," it becomes clear that the benefit is diminishing,

and that CO2-emissions may be greater in unfavorable fuel supply chains. Hydrogen is

the preferred fuel for the PEFC. Because it has been discovered that the

implementation of gas production systems, which convert hydrocarbons to a hydrogen

rich gas on-board, is extremely complicated, hydrogen is virtually solely utilized as a fuel

today. As a result, the above-mentioned potential can only be evaluated if satisfactory

economic solutions to the issues of hydrogen generation, infrastructure, and storage

can be discovered. Furthermore, advancements in fuel cell propulsion technology are

required. The cost of the power train, the lifespan of the key components, especially the

fuel cell stack, cold start ability, performance under freezing temperatures, and the

vehicle's operational range are the main concerns. To get the desired results, better

materials are required.

A fuel cell stack must be able to perform a variety of tasks. The diagram is not

exhaustive, and certain flow directions may vary depending on cell design and/or

operating circumstances. The proton exchange membrane, which separates the two

reaction layers, is the heart of the PEFC. Membrane electrode assembly refers to the

combination of the membrane and the two electrodes (MEA). Fuel is oxidized on the

anode, with electrons being pulled to an external circuit and protons being transmitted to

the cathodic side via the membrane. Oxygen is reduced on the cathode and mixed with

protons from the membrane and electrons from the external electric circuit to form

water. Heat is released in many reaction stages and must be transported away from its

source to a heat transfer fluid (htf). The heat transfer fluid runs via a cooling plate, which

may also function as a bipolar plate (BPP). The layers - gas distributor and gas diffusion

layer - have the role of distributing reactants to active layers (electrodes: anode and

cathode) and collecting and removing products or inert gases from active layers,

respectively. Often, the gas distributor is built within the bipolar plate. The backing layer

is also known as the gas diffusion layer. Bipolar plates electrically link a number of

single PEFCs to create a so-called "stack," increasing the stack's voltage.

According to the study of Praveen Maroju, B. Tech (2002) entitled “Modeling of

Fuel Cell”, alternatives to the internal combustion (IC) engine are becoming more
common these days. Electric and hybrid electric vehicles are viable alternatives to

internal combustion engines. HEVs, in contrast to electric vehicles, have at least one

extra source of electrical energy that drives a set of motors in addition to the battery.

One such supplementary source is the proton exchange membrane fuel cell. The goal

of this thesis is to create a simplified model of a proton exchange membrane hydrogen-

oxygen fuel cell. This report examines the fuel cell's theory from an electrochemical,

thermodynamic, and mathematical standpoint. Simulink® was used to create a

rudimentary model of the fuel cell, which is documented. This is followed by a thorough

examination of the model and a comparison to a real-world fuel cell.

SILICA MEMBRANE

In the classification of ZACHARIASEN, silica is a well-known glass forming oxide,

while Al2O3, TiO2, and ZrO2 are intermediate oxides. They are unable to make

spectacles on their own. Silica glass is made up of corner-sharing SiO4tetrahedra that

are covalently linked in an infinite three-dimensional network with no long-range order.

Glasses are traditionally made by cooling molten solids, although amorphous phases

may also be made from liquid solutions or gaseous mixes at lower temperatures.

Amorphous phases are metastable by definition. In comparison to silica, intermediate

oxides crystallize at a lower temperature. A microstructural change is consistently linked

to crystallization. It typically leads in a significant expansion of pore diameters in

microporous materials. At extremely high temperatures, crystallization of high purity

silica may be delayed (close to the domain of thermodynamic stability of cristobalite). In

the case of microporous silica, viscous flow sintering occurs at approximately 800°C,

limiting the thermal stability of porous silica.

 For more than 30 years, silica-based membranes have been recognized to be

effective for selective hydrogen permeation, and they are potentially less costly than

palladium-based membranes. The topic of silica membranes has been discussed in

many recent reviews and articles. Original publications, the use of sol-gel technology,

chemical vapor deposition (CVD), and plasma techniques, the use of various CVD

precursors and compositions, the measurement of porosity, and the explanation of the

permeation process are all examples of notable previous work. The usage of

dimethyldimethoxysilane (DMDMOS) and other methyl-substituted siloxanes are

important antecedents.

The molecular hopping between solubility sites is used to separate tiny species

like He, H2, and Ne in silica membranes produced by chemical vapor deposition of

alkoxide substrates. Only tiny gas molecules like He, H2, or Ne may access the silica

network's spots, which are around 0.3 nm wide. Larger gas molecules must pass

through pores or flaws such as pinholes or fractures in order to penetrate. As a result,

defect avoidance is crucial for high H2 selectivity, and this will be one of the issues

addressed in this research. A changed gas translational process may be responsible for

permeability in membranes with bigger holes.

To guarantee a defect-free membrane, the sol-gel cycle in the synthesis of

intermediate layers is usually performed many times. Too many repeats, on the other

hand, not only demand more preparation time and energy, but also raise the -alumina

thickness, increasing the danger of cracking. A prior research used four to five dipping-

calcining cycles to create a graded -alumina intermediate layer on a macro-porous

substrate to obtain extremely high H2 permeance and selectivity, but this was time-
consuming and unsuitable for repeatability and cost reasons. One of the issues

addressed in this research will be how to decrease the number of dipping-calcining

cycles needed for a particular membrane support. SEM is used to photograph samples

at intermediate phases of synthesis in order to give insight into the differences between

successful and unsuccessful membranes. Furthermore, by employing a new silica

precursor chemical, dimethyldimethoxysilane, which makes the silica network

somewhat looser, the H2 permeance is enhanced even further.

Because silica membranes may be used in membrane reactors, stability under

heat or hydrothermal conditions is a major issue. Exposure to water vapor at a high

temperature, in particular, causes the membrane's function to rapidly deteriorate. When

-alumina is employed as a support, the permeance of H2 will decrease owing to the

densification of the silica network, but the permeance of bigger gas molecules will rise

due to pinhole formation induced by the degradation of -alumina. Hydrothermal stability

tests were carried out on both the inside and outside of the membrane tube, confirming

this. The hydrolysis of Si-O-Si bonds and the production of Si-OH hydroxyl groups are

thought to cause silica densification, whereas sintering and pore expansion are thought

to cause -alumina degradation.

NANOCLAY

Liquid composite molding (LCM) techniques are extensively utilized to produce

composite components for the automobile sector, according to a research by Birkerton

et al. (2011). To manufacture components with better mechanical characteristics,

correct material selection and optimization of production parameters are essential. The

research of biobased composites reinforced with nanoclay particles is described in this

work. As a synthetic matrix, a soy-based unsaturated polyester resin was utilized, with

glass and flax fiber textiles as reinforcement. By incorporating nanoclay particles into an

unsaturated polyester resin, this study seeks to enhance the mechanical and

flammability characteristics of reinforced composites. To produce intercalated or

exfoliated structures, four alternative mixing methods were explored to enhance the

dispersion of nanoclay particles in the bioresin. The optimal parameter combinations

between vacuum pressure, filling duration, and resin viscosity were determined via an

experimental research. RTM and SCRIMP were studied and compared as production

techniques. Mechanical characteristics such as flexural modulus and ultimate strength

of conventional glass fiber composites (GFC) and flax fiber biocomposites were studied

and compared (GFBiores-C). Finally, smoke density analysis was used to show the

impacts and benefits of utilizing an environmentally friendly resin in combination with

nanoclay particles.

The study of Nature's nanomaterials and phenomena, or, to put it another way,

Nature's nanotechnology, is one element of nanoscience. Enzymes, cell membranes,

spider silk, nanoclays, and interference hues are among natural examples. At the

nanoscale, life functions such as metabolism, homeostasis, and protein production are

all mediated. Nanotechnology, on the other hand, is described as the application of

nanoscience for the objectives of business and commerce from the human viewpoint.

The application of nanoscience is known as nanotechnology. Nanotechnology includes

the use of quantum dots (QDs) for image enhancement, carbon nanotubes for light-

emitting diodes (LEDs), and Teflon nanoparticles for water repellent fabrics (ie, practical
applications of nanoscience). Because nanoscience and nanotechnology are linked by

nanomaterials, there is no effort in this book to draw a distinct line between them.

Nanotechnology is the study and use of events, substances, and devices having

at least one dimension between 1 and 100 nanometers, according to recognized

definitions. The definitions also account for the remarkable properties associated with

nanomaterials, because special physical and chemical properties (e.g., properties that

differ significantly from those in the bulk form) emerge only when material dimensions

drop below 100 nm, with the most notable change in properties occurring when particle

sizes drop below 20 nm. Sub-10 nm QDs, which have significant size-dependent

fluorescence characteristics, are a typical example. In solution, gold clusters with a

diameter of 20 nm have a stunning ruby red hue. Under these conditions, gold ceases

to be the lustrous malleable inert metal to which we have been accustomed throughout

history. Furthermore, when gold is reduced to a few nanometers, it ceases to be

metallic and transforms into an active catalyst, which is the polar opposite of its bulk

counterpart. Dermatology has benefited from nanotechnology.

MONTMORILLONITE

Clay is a valuable mineral that may be found in nature. With a better knowledge

of clay structure, montmorillonite is becoming more feasible for improved performance

in a wide range of materials and applications, including catalysis, food additives,

antibacterial function, polymer, sorbent, and so on. In recent years, there has been a

significant increase in the usage and use of montmorillonite. This chapter gives an

overview of montmorillonite, including its structure and characteristics, as well as its

recent use in key materials. The natural sources, chemical structure, physical and
chemical characteristics, and functional applications of montmorillonite are discussed.

Particle and layered structure, molecular structure and cation exchange effect, barrier

property, and water sorption are the most significant physical and chemical

characteristics. The major functional uses of montmorillonite based on the impact of its

chemical structure are next discussed. Food additives for health and stamina,

antibacterial action against tooth and gum rot, as a sorbent for nonionic, anionic, and

cationic dyes, and usage as a catalyst in organic synthesis are all examples of

significant functional uses for montmorillonite. To far, environmental concerns have not

shown a risk for particles employed as additives. Studies that are clearly based on any

montmorillonite structure will be helpful in describing environmental impacts.

The most prevalent nanoclay utilized in materials applications is plate-like

montmorillonite. Montmorillonite is made up of 1 nm thick aluminosilicate layers that

have been surface-substituted with metal cations and layered in multilayer stacks of 10

m. Montmorillonite may be distributed in a polymer matrix to produce polymer-clay

nanocomposite depending on surface modification of the clay layers. Individual nm-thick

clay layers inside the nanocomposite completely separate to produce plate-like

nanoparticles with a very high (nm m) aspect ratio (Figure 1A). We provide a variety of

montmorillonite nanoclay products with diverse organic modifications designed to be

compatible with various polymer systems in cooperation with the Nanocor Corporation.
Figure 1. A. TEM micrograph of 2% nylon-clay nanocomposite showing nm-thick

platelets of montmorillonite clay fully dispersed in the polymer matrix. Inset shows

schematic of montmorillonite aluminosilicate layer structure. B. TEM micrograph of

halloysite clay nanotubes.

Clay mineral has long been beneficial to human existence and civilisation. Its

history predates the birth of man since it is an essential component of the planet. The

Holy Quran's holy writing revealed that man was formed from clay. This suggests that

clay mineral existed before human life started on the planet. Clay is seen as a vital

component of life in ancient Greek philosophy and culture. The twenty-first century is

now recognizing the ever-increasing variety of clay uses in material science.

Clay mineral was utilized as an essential type of material to create a range of

goods in periods when technology was not at the forefront of human civilization.

Softness, plasticity, porosity, tangibility, pliability, and climate adaptability were all

feasible qualities to identify its utility, and many goods were developed. Today, when

nanotechnology is the buzzword in science, clay minerals play an important role as very

helpful fillers or additions in polymers to achieve desired effects. Nanoclays based on

montmorillonite are presently being utilized to improve the performance of polymers.

Clay science has been around since ancient times. Ceramists have been using

nanoparticles since antiquity, but nanotechnology is the deliberate scientific usage of

nanoparticles. The usage of kaoline can be traced all the way back to China in the third

century BC. China clay, also known as kaoline, is a mineral combination that includes

kaolinite, quartz, mica, feldspar, illite, and montmorillonite. Clay has been used in

building, manufacturing, and agriculture for centuries. Sun-dried and burned bricks for
building construction are still made using century-old methods. Clay-based goods such

as floor tiles, pottery, earthenware, and drainage pipes have been utilized for centuries.

Clay's capacity to expand and mold in water, and then maintain the form of a container

when dry, is an intriguing characteristic in product development.

A fine-grained natural structure with a sheet-like shape is a typical feature of clay

minerals. Phyllosilicates are hydrous silicates with a sheet-like structure. Natural clay

particles have a diameter of less than 0.004 mm, while quartz, mica, feldspar, iron, and

aluminum oxides have diameters ranging from 0.002 to 0.001 mm. Colloidal clay

particles (0.001 mm in diameter) are found in layered silicates. Table 1 shows four

different kinds of clay minerals. The layered structure of the group members varies the

most. The kaolinite group, smectite group (montmorillonite group), illite group, and

chlorite group are among them.

 Table 1. Major groups of clay minerals

Molecular Dynamics

In contemporary years, molecular dynamics (MD) simulations in molecular

biology and drug development have grown significantly. The behavior of proteins and

other biomolecules is captured in atomic detail and at excellent temporal resolution in

these simulations. Significant advancements in simulation speed, accuracy,

accessibility, and abundance of experimental structure data, have enhanced the

attractiveness of biomolecular modeling to experimentalists—a trend that can be seen

in, but not limited to, neurology. Simulations have helped understand proteins and other

biomolecules' functional processes, determine the structural basis for illness, and

design and optimize small molecules, peptides, and proteins. Hollingsworth and Dror

(2018) discuss the kinds of knowledge MD simulations may offer and how they usually

inspire additional experimental investigation practically.

Based on a basic model of physics controlling interatomic interactions, MD

simulations predict how each atom in a protein or other molecular system would move

over time (Karplus and Mc Cammon, 2002). These simulations may show the locations

of all the atoms at femtosecond temporal precision, allowing them to capture a broad

range of critical biomolecular events such as conformational change, ligand binding,

and protein folding. Notably, such simulations can anticipate how biomolecules will react
to perturbations like mutation, phosphorylation, protonation, or the addition or removal

of a ligand at the atomic level.

MD simulations, on the other hand, have grown in popularity and visibility in

recent years, especially among experimental molecular biologists (Figure 1).

Simulations have become more common in practical structural biology publications,

where they are used to both analyze and guide experimental work.

Figure 1. Growth of molecular dynamics simulations in structural biology.

Challenges in MD Simulations

Simulations of molecular dynamics (MD) provide a peek into the realistic

development of atomistic systems. In theory, MD simulations may replicate the results

of a mass spectrometry experiment if all of a droplet's interactions with the environment

as it travels from a source to a detector are considered. Researchers may examine the

droplet development in exquisite detail as if looking through a magnifying glass at the

atomistic movements of the experiment. However, there are significant computational

and theoretical limits in its use in reality. It distinguishes between two kinds of

simulations: (i) equilibrium simulations that offer the average characteristics of a droplet

state for a given droplet size, and (ii) non-equilibrium simulations that represent the

whole evaporation fission process. Evaporative cooling runs are non-equilibrium MD

runs that do not use a thermostat to keep the temperature of a droplet constant. The

macroion conformations may be kinetically trapped as a result of the non-equilibrium

simulations. The equilibrium simulations are predicated on the premise that molecular

equilibration and macroion dynamics occur on different time scales. By removing the

simulations of slow evaporation processes, these simulations allow for a significant

increase in simulation pace.

The simulations are carried out technically by putting the droplet in a cavity or

simulation box with periodic boundary conditions. Equilibrium simulations may be used

to simulate either the canonical or micro-canonical ensemble. Equilibrium simulations

benefit that the outcome is independent of the starting circumstances and that the

findings are universal in the sense that they are repeatable and durable. Temperature

and vapor pressure conditions may be adjusted in equilibrium simulations. In equilibrium

simulations, kinetic trapping may be avoided using sophisticated sampling methods

rather than straight MD runs. The rates of conformational changes of macromolecules

or other processes may be measured compared to the droplet evaporation rate in

equilibrium runs. This comparison deduces if the mechanisms seen in equilibrium

simulations may also be observed during droplet evaporation.

Place the droplet in vacuo and observe the development of the droplet containing

the macroion to conduct non-equilibrium simulations. Evaporative cooling runs are non-

equilibrium runs without a thermostat. The result of such an experiment, intuitively,

gives information about the route of an actual electrospray experiment. The starting

circumstances may influence the outcomes of each trajectory. As a result, realistic non-

equilibrium simulations of charged droplets require a comprehensive description of the

droplet environment, including the buffer gas's pressure and temperature, the droplet's

velocity in the buffer, the solvent vapor pressure, and other mass spectrometer

characteristics. These variables are often unavailable and vary per experiment. The two

methods' computational specifics may be found in references.

In recent years, molecular dynamics (MD) simulations in molecular biology and

drug development have grown significantly. The behavior of proteins and other

biomolecules is captured in atomic detail and at excellent temporal resolution in these

simulations. Significant advancements in simulation speed, accuracy, and accessibility,

as well as the abundance of experimental structure data, have enhanced the

attractiveness of biomolecular modeling to experimentalists—a trend that can be seen

in, but not limited to, neurology. Simulations have been helpful in understanding the

functional processes of proteins and other biomolecules, determining the structural

basis for illness, and designing and optimizing small molecules, peptides, and proteins

(Hollingsworth and Dror, 2018).

Nanocellulose

The use of green, renewable, and sustainable resources in the production of

different high-value goods with minimal environmental effects has grown more

significant in recent years (Oksman and Bismarck, 2014). This field of study has piqued

the attention of many academics and industry leaders since such materials seem to

offer a viable alternative to diminishing nonrenewable resources, pollution, global

warming, and the energy crisis. In this respect, cellulose, starch, alginate, chitin,

chitosan, and gelatin have been identified as potential possibilities due to their
widespread availability from various sources (Trache, 2018). Plants, algae, tunicates,

and certain bacteria all contain cellulose, which is the most abundant renewable

component derived from the biosphere. This absorbing polymer, which is regarded as

an infinite supply of raw materials, has the ability to be changed and functionalized for a

variety of industrial applications.

Nanocellulose (NC) may be made from natural cellulose and has a size range of

a few to tens of nanometers in at least one dimension. Xu et al. (2019) examined

nanocrystalline cellulose suspensions in terms of rheology, liquid crystal ordering, and

colloidal phase behavior in depth. The geometrical dimensions and shape of cellulose

nanocrystals vary depending on their origin, extraction techniques, and production

circumstances, resulting in discrepancies in suspension rheology and colloidal

behaviors. The authors found that colloidal volume fraction, nanocrystalline cellulose

rod diameter, and interparticle forces all have a role in the rheology and colloidal

behavior of aqueous nanocrystalline cellulose suspensions. Furthermore, when the

concentration of nanocrystalline cellulose suspensions reaches a threshold amount,

they form an organized liquid crystal state. Abitbol et al. (2018) hypothesized that

adjusting the surface charge, i.e., the degree of sulfate group substitution on the surface

of cellulose nanocrystal suspensions in water, may improve their stability. According to

the findings, the viscosity of nanocellulose suspensions is influenced by surface charge,

with lower surface charge CNCs forming more viscous suspensions, which gel at lower

concentrations. Researchers found that after the surface charge density of CNCs

reaches a threshold value, the effective volume of suspensions plays a significant

impact across the concentration range relevant to liquid crystalline phase development.
 The crystallinity index (crystallinity percentage), which administers the

mechanical and physical attributes of nanocellulose, is calculated using an X-ray

diffractometer and is based on the maximum intensity of diffraction of the (002) lattice

peak representing crystalline region (I002) and the intensity of diffraction between (002)

and (101) lattice peaks representing amorphous region (I001). In order to determine

crystallinity, the XRD peak location (2) and their intensities are referenced.

Transmission electron microscopy (TEM), field emission scanning electron microscopy

(FESEM), and atomic force microscopy (AFM) may all be used to evaluate the

morphology and dimensions of nanocellulose (Foster et al., 2018). Figures 2 and show

TEM micrographs of CNCs produced from various sources, revealing particle sizes

ranging from 70 to 300 nm in length and 4 to 20 nm in width.

Figure 2. SEM micrographs of (a) the raw material (corn stalk) and (b) the extracted cellulose;

(c,d) transmission electron microscopy (TEM) micrographs of the cellulose nanocrystals (CNCs).
 Figure 3. Transmission electron microscopy (TEM) micrographs of CNC isolated from: filter paper

enzyme-treated for (A) 0 h, (B) 2 h, and (C) 10 h and wood pulp enzyme-treated for (D) 0 h, (E) 2 h, and

(F) 10 h.

Properties of Nanocellulose

Figure 4 depicts the properties of NC that influence its growing interest and uses

in many sectors such as packaging, paper, food, medical and hygiene goods,

cosmetics, and optical sensors. Furthermore, their structural characteristics and

chemical alterations (covalent bonding and electrostatic interactions) play a significant

role in packing material manufacturing.

 Figure 4. Properties of Nanocellulose

Applications of nanocellulose

1. Biomedicine

Because of its biocompatibility and excellent purity, NC, especially of bacterial

origin, also known as bacterial nanocellulose (BNC), has piqued the attention of

biomedical researchers as wound dressings or scaffold materials for tissue

engineering and implants. BNC may also replace blood vessels (vascular grafts),

soft tissue, and the nucleus pulposus in the future. Furthermore, some digestive

issues may be treated with dry solid NC pills. Nanocellulose, in powdered form,

may be utilized as an excipient in medicinal compositions. It may be used in the

medical sector for antimicrobial films and water-absorbent pads. Natural cellulose

microparticles have also found their way into dental applications and

regenerative medicine.

2. Cosmetics

Nanocellulose, namely cellulose fibrils or micro fibrillated cellulose (MFC), may

be utilized as an anti-wrinkle agent in various cosmetic products. Mr. Rainer

Kröpke, who has created over 250 different formulas at Cosmacon GmbH, said

in an interview with Exilva: "I believe MFC is a novel, unique raw material derived
 from natural and sustainable forests. I see a lot of promise, particularly in terms

of substituting synthetic raw materials." Furthermore, MFC's thickening and

stabilizing characteristics are beneficial in sunscreen sprays because they

provide a "non-dripping" effect while also reducing oiliness, resulting in a non-oily

skin look. It is also used as a composite coating agent in nail, hair, brow, and

eyelash treatments. The MFC is also helpful for hair care products since it

improves hair's wet compatibility.

3. Ultra-absorbent aerogels

Because of its high absorbency selection criteria, NC is appropriate for

use in the following products, in addition to their usage as potential oil

absorbents: tampons, sanitary napkins, or wound dressings in the form of freeze-

dried nanocellulose aerogels. Asia Nano Group, a Korean firm, has created a

whole range of NC-based cosmetic items. According to Mr. Kim, Managing

Director of Asia Nano Group, "NC, a vegetable organic substance, contains more

than 80% moisture and creates a water pool, which retains the moisturizing effect

on the skin to a larger extent." NF moisture Nanocell Mask; Mist and Serum; NF

Posoo Mask; and NF White Day Soft Cream are the current NC-based

moisturizing and brightening cosmetics being exported.

Nippon Paper Crecia Co. Ltd is a Japanese paper manufacturer that

makes adult diapers using functional NC fibers. The business promotes the

innovative use of natural forest resources to create NC fiber deodorant sheets

that offer consumers comfort. The following are some of the benefits of such

products:
  Keeping gel from obstructing

 Allowing for less fluff

 Thinner pads

 Large capacity for storing water

DeLeon Cosmetics was established to produce anti-aging cosmetic

products utilizing natural ingredients, inspired by Juan Ponce de Leon's quest for

the Fountain of Youth. In their Tallahassee, Florida plant, all goods are produced

in the United States using a new technique known as nanohydration. Eye, face,

and neck masks are among the specialized items offered.

To summarize, nanocellulose is gaining traction in various industries, with

commercial goods currently available for purchase to a worldwide audience.

Nanocomposite Membranes

A nanocomposite is a heterogeneous combination that consists of two or more

distinct components with significantly differing physicochemical properties. A

homogeneous matrix (polymer or biopolymer) ingredient is reinforced by a stiffer, more

substantial component with a limited quantity of nanosized organic or mineral fillers of

specified form, size, and surface chemistry, according to the specification (Abdul Khalil

et al., 2019). CNCs have been discovered to be an intriguing nanofiller due to their

chemical structure (abundance of -OH groups), reactivity, high specific surface area,

mechanical, thermal, and optical characteristics, even when used in small amounts
(Chen et al., 2019). In general, it is said that including CNCs into a polymeric matrix

increases tensile strength while decreasing flexibility. Strong intermolecular connections

between CNCs and the polymeric matrix, such as covalent bonds, van der Waals

forces, mechanical interlocking, and molecular entanglement, may explain this behavior

(Pires et al., 2019). CNC-based nanocomposites have been created using a variety of

processing techniques. Solution casting, melt extrusion, ball milling, injection molding,

compression molding, precipitation methods, 3D printing, layer-by-layer assembly, wet-

and elector-spinning, and micropatterning processes are among the most significant.

Abouzeid et al. (2018) recently reviewed NC-based materials as efficient

adsorbents and flexible membranes, finding that such materials with outstanding

features like high surface area, better mechanical characteristics, hydrophilicity, and

tolerability of the surface chemistry through grafting anionic and cationic surface

chemical groups match the prerequisites for wastewater treatment. Köse et al. (2020)

recently released a thorough review paper on NC-based adsorbents, highlighting the

significance of such novel materials as feasible, sustainable adsorbent alternatives.

Sharma et al. (2020) found that nanocellulose has evolved into an essential, safe, and

cost-effective novel material that is especially well-suited to membrane applications.

They claim that nanocellulose membranes made from cheap, plentiful, and sustainable

resources, such as agricultural leftovers and underused biomass waste, may reduce

membrane separation costs by removing various contaminants in a single step through

size exclusion and adsorption. The nanocellulose-enabled membrane technology has

the potential to not only address global drinking water problems but also to offer a new

low-cost platform for different pressure-driven filtration methods such as microfiltration,

ultrafiltration, nanofiltration, and reverse osmosis. However, further study is required in

the future to decrease processing costs while also increasing performance

characteristics.

Functionalization of Nanocellulose

In reality, the hydrogen reformer system is appropriate for use in HT-PEMFC

because it can tolerate contaminants and, most significantly, lowers the cost of power

generation. The composition of the gas produced by a hydrogen reformer is determined

by the operating temperature, pressure, catalytic activity, and design of the reformer. As

a result, the HT-PEMFC has significant benefits since it may be utilized as a co-

generation fuel, simplifies the fuel processing system, and reduces operating costs.

With these benefits, it is advantageous to commercialize PEMFC technology sooner by

utilizing low-cost hydrogen produced from natural gas steam reforming, partial oxidation

of hydrocarbons, and coal gasification, since the hydrogen production infrastructure is

still restricted.

a. Techniques

Reactant Management Systems

Both low and high-temperature PEMFCs serve a similar role in the

reactant management system. An efficient system must account for three major

factors: optimal flow rate, pressure, and stoichiometric ratio. A reactant system is

critical, particularly for transitory loading demands such as vehicle applications,

where the loading requirement is often non-linear and the reactant must be
properly supplied. In addition, the reactant gas must be dispersed uniformly at

the anode and cathode of the cell at an appropriate pressure and flow rate in

order to provide uniform current and voltage for each individual cell. Both pure

hydrogen and reformate gas containing up to 3% carbon monoxide are suitable

for use in the HTreaction to fuel oxidation on the anode side, while oxygen or air

may be utilized for oxidant reduction on the cathode side. Both reactants must be

properly supplied, since insufficient supply will result in inefficient performance.

The quantity of reactant that must be delivered to the stack is complex. If the

quantity provided is too large, the electrochemical reaction will speed up,

resulting in a high-power density but inefficient netpower production or the

potential for MEA damage.

Heat management system

In HT-PEMFC, phosphoric acid is utilized in the membrane, which works

in the same way as the water did in low-temperature PEMFC to conduct the

proton. The procedure may be performed at a greater temperature, over 100 C,

by employing this medium. High temperatures primarily enhance the kinetics of

the electrochemical reaction (current density) due to reduced resistance in the

membrane, greater oxygen consumption in the cathode, more efficient power

generation, higher tolerability to contaminants, and more straightforward system

design. However, the temperature used is also an important factor. The fuel cell's

durability will degrade quickly as the temperature increases, posing a danger of

acid leaching owing to the different power generation processes. As a result, the
 stack temperature must be maintained at a specific level while avoiding

overshoot temperature, which may be detrimental to the stacks and their

components. Another major challenge in commercializing the HT-PEMFC is

operating it at a tolerable temperature level in a short period, particularly in

startup mode. When compared to traditional PEM, the processes for operating an

HT-PEMFC are more complicated. As a result, determining the appropriate

operating temperature and thermal management is required for the HT-PEMFC

to function efficiently. When running the HT-PEMFC, the temperature of the

hydrogen, the air-fuel intake, and the stack must be determined according to the

anticipated power density and durability. For dependable functioning, the

temperature must be carefully monitored and regulated. To stabilize the stack's

performance, heat must be delivered evenly by heating the fuel cell stack or gas

lines in a temperature-controlled environment.

b. Strategies

Semicrystalline cellulose microfibrils are embedded in an amorphous

matrix of hemicellulose and lignin in the plant cell wall. The challenges in

structural characterization of the plant cell and its constituents can be classified

according to length scales: micron-scale for the cell wall layers, mesoscale for

how the components are located with each other, nanoscale for the structure of

the cellulose microfibril and its bundles, and molecular-scale for the constituent

structure.

Cell Wall Structure and the Location of Constituents

 For decades, scientists have held a rudimentary general picture of the

construction of the secondary and main walls inside the plant cell wall. The main

differences are in the component ratios as well as in the orientation of the

cellulose microfibrils. Recent research has provided insight into the structure of

the main wall, which had been thought to consist of a nonaligned microfibril

network that resists turgor (osmotic) pressure while expanding during cell

development. Microscopical evidence has long indicated that microfibrils do more

than create an isotropic mesh in the main wall. Recent research has provided a

more realistic image of a crossing polylamellate structure: aligned microfibrils

create thin, continuous, and distinct layers (lamellae) whose orientations vary as

they move transversely across the main wall. The change in the orientation of the

microfibrils between the layers seemed to be random rather than progressive.

Cellulose Microfibrils

Despite the considerable leap in analyzing the unit cell of native cellulose

Iα and Iβ crystals earlier this century, the morphology of the native microfibril has

been subject to constant debate, particularly during the past decade. It is widely

recognized that the width of the microfibrils is determined by their biological origin

and that the width decreases as the plant's evolutionary position improves. As a

consequence, algae have the biggest microfibrils (20 nm in diameter), whereas

trees have the smallest (3–4 nm in diameter). Based on circumstantial evidence

from the structure of the cellulose synthase enzyme, these tiniest microfibrils

were believed to be composed of 36 cellulose chains. Michael Jarvis's group

released a key article in 2011 that called the 36 chain model into doubt and
proposed a 24 chain structure instead, based on an extensive investigation using

FTIR, NMR, and diffraction. Molecular dynamics (MD) simulations prompted

researchers to decrease the number of chains to 18, which has been the

standard for the lowest microfibril during the last five years. Kubicki et al.

investigated a variety of forms and found that the 34443 model is the most likely

for the 18 chain model. A large number of surfaces in the tiny 18 chain model

explains why changes to the microfibril surface already have a substantial effect

on the microfibril's mass density. For example, TEMPO-oxidation of the primary

hydroxyl (OH) groups on the microfibril surface raise the mass density from 1.60

to 1.70 g cm3, owing to an increase in molecular weight on surface

anhydroglucose units.

Isolation of Nanocellulose from the Cell Wall Matrix

The technological elements of CNF and CNC isolation have recently been

examined. In the case of CNFs, the most common separation technique has

been mechanical shear disintegration, which results in the release of the

microfibrils. Standard pretreatments have included enzymatic digestion and

TEMPO-oxidation, with the latter being the sole technique that effectively

individualizes microfibrils to CNFs. When derived from wood, this implies that

TEMPO-oxidized CNFs are made up of long (5–10 m) threads with extremely

monodisperse diameters of 3–4 nm. Phosphorylation and periodate oxidation

have recently emerged as viable pretreatment methods. All pretreatment

techniques work on the same principle as TEMPO-oxidation: adding charge to

the microfibril surface to promote separation of microfibrils from one another and
forming CNFs. Surprisingly, the techniques that depend only on high shear

produce more twisted or curved CNFs than those that rely on charge addition.

Indeed, new models indicate that plastic deformations caused by severe shear

may occur even in crystalline cellulose.

Advances in Chemical Modification

The key to combining natural materials with the controllability of synthetic

chemistry is chemical modification. The attraction of customizing nanocellulose

surface chemistry is broad, and the synthetic flexibility offered by the

multifunctional surface has been proven in a wide range of modification ideas,

particularly for CNCs. Surface hydroxyls and reducing end group (REG)

aldehydes are naturally present in CNCs and CNF. As a polyalcohol, cellulose

allows access to common alcohol derivatives. Nonetheless, nanocelluloses

behave quite differently than regular alcohol, which is due, in part, to the

heterogeneous reaction state upon approaching their surfaces. Furthermore,

despite the large surface area, the total chemical accessibility is controlled by the

colloidal stability of the nanoparticles in the reaction media and dispersibility

when supplied in dry form.

Cellulose–Water Interactions

Because of the enormous practical consequences, the interaction

between cellulose-based materials and water has been researched for over a

century. When a piece of paper is submerged in water, it quickly becomes

saturated and disintegrates. Water absorption by a piece of wood, on the other

hand, is relatively modest due to hydrophobic lignin. Individual cellulose

 microfibrils do not expand in water at the nanoscale because crystalline cellulose

is impermeable by water. Still, the network of microfibrils swells because the

microfibril (and CNF) surfaces are highly hygroscopic. Because they expand

more than semicrystalline microfibrils, amorphous hemicellulose structures

contribute substantially to water absorption.

c. Others related to fabrication of HT PEMFCs

Proton exchange membrane fuel cell (PEMFC) technology is now a

significant research focus throughout the globe. It is suited for mobile, portable,

and fixed applications. Its popularity skyrockets, especially when big corporations

launch their PEM fuel cell product to the globe. Toyota began marketing its

hydrogen fuel cell automobile, the 'Mirai,' while other automakers, like Honda

(Clarity), Mercedes (B-Class), and Hyundai (Tucson), are also focusing on

producing their fuel cell electric cars.

In order to commercialize PEMFC technology, researchers and producers

must address the disadvantages of cost, durability, and infrastructure. Because

of the high cost of manufacturing, pure hydrogen has also become one of the

significant barriers to the use of PEMfuel cells in many applications. Providing

high-quality hydrogen has long been one of the significant difficulties, with the

lack of pure hydrogen causing severe poisoning of the anode electro-catalyst in

the PEMFC. Conventionally, the hydrogen generated by the steam reforming of

hydrocarbons, such as natural gas or coal gasification, emits CO2, contributing to

the greenhouse impact. The functioning of PEM fuel cells at high temperatures

has pushed this technology closer to commercialization. Raising the temperature

improves performance because less voltage is lost at higher working

temperatures, there is greater tolerance to carbon monoxide, and heat utilization

and reaction speeds are increased.

Furthermore, it will solve many problems that low-temperature PEMfuel

cells encounter with a simplified water management system, which is why

researchers across the globe are interested in HT-PEMFC. The membrane is the

critical component that allows PEM fuel cells to function at greater temperatures.

It was found that a poly-benzimidazole (PBI) membrane doped with phosphoric

acid (PA) as the proton conductor may function at temperatures of up to 200

degrees Celsius.

Over the past several years, there has been a surge in research into the

HT-PEMFC, primarily in creating new membranes and catalysts. Temperatures

in the region of 120e180 C are thought to provide a possible answer to difficulties

encountered by normal PEMFC operations. The lower border temperature of 120

degrees Celsius is suggested to prevent the production of liquid water, while the

higher boundary temperature of 180 degrees Celsius is recommended to avoid

furious deterioration. However, there are significant temperature impacts on

charge transfer and proton transfer; the resistance of the transfers decreases as

the temperature rises, resulting in a more efficient kinetic reaction in the fuel cell.

As a result of moving to a higher temperature, the ORR response will be

accelerated, increasing the overall performance of the PEMFC.

Studies pertinent to the use of functionalized nanocellulose for the preparation of

nanocomposite membranes

Certain discoveries and advancements have not been adequately covered in

earlier papers. Therefore, we present some of the most current nanocellulose (NC)

uses, particularly cellulose nanocrystals, in this paper (CNC). The purpose of this review

is to provide a concise overview of the research on nanocelluloses, with a particular

emphasis on CNCs and their current uses. First, a summary of cellulose, nanocellulose

nomenclature, separation from various feedstocks, characteristics, and functionalization

is provided. Significant production difficulties and fresh approaches are addressed. In

the following sections, we will shed light on current trends and recent research on the

use of nanocellulose, with a particular emphasis on nanocomposites, medical, Pickering

emulsifiers, wood adhesives, adsorption, separation, decontamination, and filtration

applications, to provide readers with a comprehensive overview of the advanced

science and engineering of nanocellulose-based emerging materials and applications.

Other developing uses of nanocellulose, such as papermaking, oil and gas drilling and

cementing, energy storage systems, sensors, and biosensors, have been thoroughly

studied in recent years and are outside the scope of this study. This study is anticipated

to pave the way for new paths in the preparation of NC and the design and manufacture

of novel NC-based materials for broad advanced applications (Chen et al., 2018; Kim J.

H. et al., 2019)

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